SCHEMBL8315997

SCHEMBL8315997

CC1(C(F)(F)F)C=Cc2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GFER P55789 1/20 0.46
TLR3 O15455 2/20 0.44
HIF1A Q16665 7/20 0.42
EPAS1 Q99814 5/20 0.42
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
NPC1 O15118 1/20 0.36
STAT3 P40763 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27330130 0.84 CA9 (0.50) CA9CA12CA1MEN1KMT2A
SCHEMBL3193294 0.81 TLR3 (0.59) CA9CA12CA1MEN1KMT2A
SCHEMBL14567130 0.78 MEN1 (0.39) CA9CA12CA1MEN1KMT2A
SCHEMBL8316093 0.78 PTGS1 (0.47) CA9CA12CA1MEN1KMT2A
SCHEMBL6976994 0.76 PTGS1 (0.62) CA9CA12CA1MEN1KMT2A
SCHEMBL6270431 0.75 MEN1 (0.46) CA9CA12CA1MEN1KMT2A
SCHEMBL8134327 0.74 KMT2A (0.43) CA9CA12CA1MEN1KMT2A
SCHEMBL6267705 0.74 CA9 (0.42) CA9CA12CA1MEN1KMT2A
SCHEMBL9205782 0.73 CA9 (0.44) CA9CA12CA1MEN1KMT2A
SCHEMBL928563 0.73 CA9 (0.44) CA9CA12CA1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632033-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-04-07 EP disclosed
CN-1036918-C Novel benzopyran derivatives CHUGAI SEIYAKU PHARMACEUTICAL (JP) 1998-01-07 CN disclosed
US-5646308-A POTASSIUM CHANNEL ACTIVATORS USED AS ANTIASTHMATICS, ANTIEPILEPTICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
EP-0632033-A1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-01-04 EP disclosed
CN-1077954-A New 1-benzopyran derivatives CHUGAI PHARMACEUTICAL CO LTD (JP) 1993-11-03 CN disclosed